N-[azanyl(phenylazanyl)methylidene]-8-(hexanoylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-8-(hexanoylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-8-(hexanoylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-8-(1-oxohexylamino)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-8-(hexanoylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-8-(caproylamino)cinchoninamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC2=C(C=CN=C21)C(=O)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC2=C(C=CN=C21)C(=O)N=C(N)NC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O2/c1-2-3-5-13-20(29)27-19-12-8-11-17-18(14-15-25-21(17)19)22(30)28-23(24)26-16-9-6-4-7-10-16/h4,6-12,14-15H,2-3,5,13H2,1H3,(H,27,29)(H3,24,26,28,30)